| CAS Number | 19935-81-0 |
| Catalog Number | AG002C2Z(AGN-PC-0WAMZ7) |
| Chemical Name | Benzene, 1-(1-bromoethyl)-4-nitro- |
| IUPAC Name | 1-(1-bromoethyl)-4-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,1H3 |
| InChI Key | LLTKPPRBFXTUKH-UHFFFAOYSA-N |
| MDL Number | MFCD11634400 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | O=[N+](C1=CC=C(C(Br)C)C=C1)[O-] |
| Synonyms | 1-(1-Bromoethyl)-4-nitrobenzene,
19935-81-0,
1-(1-bromo-ethyl)-4-nitro-benzene,
Benzene, 1-(1-bromoethyl)-4-nitro-,
methyl 4-nitro benzyl bromide,
SCHEMBL678502,
1-(4-nitrophenyl)ethyl bromide,
DTXSID80452200,
LLTKPPRBFXTUKH-UHFFFAOYSA-N,
MFCD11634400,
AKOS009437324,
DS-5576,
NE48559,
AK127643,
CS-0061052,
1-(1-bromoethyl)-4-nitro-benzene,
ACN-052913,
CID11020679,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number